- acoscol
- Programs for Manipulation of
- add
- Programs for Manipulation of
- addcol
- Programs for Manipulation of
- addj
- mcphas.j - lattice and
| Programs for Specific Tasks
- asincol
- Programs for Manipulation of
- atancol
- Programs for Manipulation of
- average
- Programs for Manipulation of
- beep
- Programs of General Interest
| Programs of General Interest
- bfk
- Getting Started ... List
| no title
| no title
- brillouin
- Getting Started ... List
- cfield
- Getting Started ... List
| Getting Started ... List
| Doing Single Ion Calculations
| Setting up mcphas.j and
| Setting up mcphas.j and
| Setting up mcphas.j and
- charges
- no title
| External module function ro_calc
- chi2
- Telling the fitting program,
| Telling the fitting program,
| Programs for Manipulation of
- chrgplt
- no title
| External module function ro_calc
- cif2mcphas
- ...in version 5.2 ...
- cluster
- Getting Started ... List
| Getting Started ... List
| Single Ion Modules
- convolute
- Example - how to
| Example - how to
| How to generate and
| How to generate and
| How to generate and
| How to generate and
| How to generate and
| How to generate and
| Program hkl, hkl2d and
| Program hkl, hkl2d and
| Programs for Manipulation of
- convolute2d
- Programs for Manipulation of
- coscol
- Programs for Manipulation of
- cpsingleion
- Example - how to
- delcol
- Programs for Manipulation of
- delcols
- Programs for Manipulation of
- delline
- Programs for Manipulation of
- densplt
- no title
| no title
| no title
| no title
| Programs display_density - display
- dif
- Programs for Manipulation of
- display
- Example - how to
| Starting a simulation
| Options for a running
| mcdisp - the Calculation
| Viewing the results of
| no title
| Programs for Graphical display
| Programs for Graphical display
| no title
| Programs display, displaybubbles,
| Programs display, displaybubbles,
| Programs display, displaybubbles,
| Programs display, displaybubbles,
| Programs display, displaybubbles,
| Programs display, displaybubbles,
| Programs display, displaybubbles,
| Programs display_densities - display
| no title
| Program hkl, hkl2d and
| no title
| no title
| Fitting is an art:
| Fitting is an art:
| Fitting is an art:
| Fitting is an art:
| Fitting is an art:
| Programs for Manipulation of
| Programs for Manipulation of
- display_densities
- Viewing the results of
| no title
| no title
| no title
| no title
| Programs display_densities - display
| Programs display_densities - display
| Programs display_densities - display
| Programs display_densities - display
| Programs display_densities - display
| Programs display_densities - display
| Programs display_densities - display
| Programs display_densities - display
| Evaluating results - Graphical
| Evaluating results - Graphical
- display_density
- Doing Single Ion Calculations
| Doing Single Ion Calculations
| Doing Single Ion Calculations
| no title
| no title
| no title
| no title
| Programs display_density - display
| Programs display_density - display
- displaybubbles
- Viewing the results of
| Viewing the results of
| Viewing the results of
| no title
| Programs display, displaybubbles,
| Programs for Manipulation of
- displaycontour
- Viewing the results of
| Viewing the results of
| Viewing the results of
| Viewing the results of
| Viewing the results of
| Powder-averaging the spectra
| Running McPhase and McDisp
| Running McPhase and McDisp
| no title
| Programs display, displaybubbles,
| Programs for Manipulation of
- displayhtml
- Programs for Manipulation of
- displaytext
- Programs for Graphical display
| no title
| Programs display, displaybubbles,
| Programs for Manipulation of
- epsdebye
- Programs for Specific Tasks
- expcol
- Programs for Manipulation of
- extendunitcell
- Programs for Specific Tasks
- factcol
- Programs for Manipulation of
- fecalc
- mcphas.ini - controlling the
- fermicol
- Programs for Specific Tasks
- fform
- Programs for Manipulation of
- fillcol
- Programs for Manipulation of
- fitfermi
- Programs for Specific Tasks
- formfactor
- Programs for Specific Tasks
- FullProf
- How to generate and
- gauss
- How to generate and
| Programs of General Interest
- gauss2d
- Programs of General Interest
- gausscol
- Programs for Manipulation of
- getvalue
- Programs for Manipulation of
- getvariable
- Programs for Manipulation of
- histcol
- Programs for Manipulation of
- hkl
- no title
| Program hkl, hkl2d and
| Program hkl, hkl2d and
- hkl2d
- no title
| Program hkl, hkl2d and
- ic1ion
- Getting Started ... List
| Intermediate Coupling
| no title
| no title
| no title
| using ic1ion as a
| using ic1ion as a
| Programs display_density - display
- int
- Programs for Manipulation of
- kramer
- Getting Started ... List
- linreg
- Programs for Manipulation of
- lorentz
- How to generate and
| Programs of General Interest
- lorentzcol
- Programs for Manipulation of
- makenn
- mcphas.j - lattice and
| mcphas.j - lattice and
| mcphas.j - lattice and
| Programs for Specific Tasks
| Programs for Specific Tasks
- mcdiff
- ...in version 5.2 ...
| Introduction
| no title
| mcdiff - calculate and
| mcdiff - calculate and
| mcdiff - calculate and
| mcdiff - calculate and
| mcdiff - calculate and
| How to generate and
| How to generate and
| How to generate and
| How to generate and
| How to generate and
| How to calculate only
| How to calculate only
| Formalism II - Neutron
| Formalism II - Neutron
| Going beyond the Dipole
| no title
| no title
| no title
| no title
| no title
| no title
| External module function mqcalc
| no title
| Programs display_densities - display
| no title
| Program hkl, hkl2d and
| Program hkl, hkl2d and
| Program hkl, hkl2d and
| Program hkl, hkl2d and
| Programs for Specific Tasks
| Programs for Specific Tasks
| Magnetic Form factors for
- mcdiff.in
- Single Ion Modules
- mcdisp
- ...in version 5.2 ...
| mcdisp - the Calculation
| mcdisp - the Calculation
| example of input file
| Diffuse Scattering
| no title
| Calculation of the Dispersion
| Calculation of the Dispersion
| Resonant Inelastic X-ray Scattering(RIXS)
| Running McPhase and McDisp
| Running McPhase and McDisp
| no title
| no title
| no title
| no title
| no title
| no title
| External module functions dmq1
| no title
| External module functions drixs1
| no title
| no title
| no title
| no title
| using ic1ion as a
| Programs for Specific Tasks
| Module brillouin - an
| Magnetic Form factors for
| Dynamical Susceptibility and Excitations
| Dipole Approximation
| Solution of the exercises
- mcdisp.mf
- mcdisp - the Calculation
| mcdisp - the Calculation
| example of input file
| Diffuse Scattering
| Solution of the exercises
- mcdisp.par
- mcdisp - the Calculation
| mcdisp - the Calculation
| no title
| Diffuse Scattering
| Creation of the q-vector
- mcphas
- mcphas.ini - controlling the
| subdirectory ./fit - experimental
| Starting a simulation
| Starting a simulation
| Starting a simulation
| Starting a simulation
| Starting a simulation
| Starting a simulation
| Starting a simulation
| Starting a simulation
| Starting a simulation
| Starting a simulation
| no title
| no title
| no title
| no title
| no title
| using ic1ion as a
| Program felog - display
| Programs for Specific Tasks
| Programs for Specific Tasks
| Module kramer - a
| Module brillouin - an
- mcphas.ini
- Input Files
| no title
| mcphas.ini - controlling the
| no title
| Example mcphas.ini file for
| Starting a simulation
| Starting a simulation
- mcphas.j
- mcphas - calculation of
| Input Files
| no title
| mcphas.j - lattice and
| mcphas.j - lattice and
| mcphas.j - lattice and
| mcphas.j - lattice and
| no title
| mcdisp - the Calculation
| Creation of the q-vector
| no title
| Setting up mcphas.j and
| Setting up mcphas.j and
| Single Ion Modules
| External module function Icalc
| External module function du1calc
| External module function mcalc
| External module function dm1
| External module function dP1
| Programs for Specific Tasks
| Programs for Specific Tasks
| Programs for Specific Tasks
- mcphas.tst
- Input Files
| no title
| no title
| Example mcphas.tst file for
- moments of a distribution
- Programs for Manipulation of
- multcol
- Programs for Manipulation of
- newcol
- Programs for Manipulation of
- newcols
- Programs for Manipulation of
- newline
- Programs for Manipulation of
- perl parsing
- Single Ion Modules
- pointc
- ...in version 5.2 ...
| Doing Single Ion Calculations
| Example - how to
| using ic1ion as a
| Programs for Specific Tasks
| Programs for Specific Tasks
| Programs for Specific Tasks
| Programs for Specific Tasks
| Programs for Specific Tasks
| Programs for Specific Tasks
- potcol
- Programs for Manipulation of
- powdercell2j
- Programs for Specific Tasks
- quartett.so
- Getting Started ... List
- radwavfunc
- Radial Wavefunction
| Programs for Specific Tasks
- range
- Programs for Manipulation of
- reduce_unitcell
- Programs for Specific Tasks
- RIXS
- no title
- rotate
- Programs for Manipulation of
- rotateBlm
- Programs for Specific Tasks
- rpvalue
- Telling the fitting program,
| Programs for Manipulation of
| Programs for Manipulation of
- script2html
- Programs of General Interest
- searchspace
- Searchspace and Simannfit -
| Setting up parameter files
| Setting up parameter files
| Setting up parameter files
| Setting up parameter files
| Starting a parameter space
| Starting a parameter space
| Starting a parameter space
| Programs for Specific Tasks
- setup_jqfit
- Programs for Specific Tasks
- setup_mcdiff_in
- mcdiff - calculate and
| Program hkl, hkl2d and
| Programs for Specific Tasks
| Programs for Specific Tasks
- setup_mcdisp_mf
- example of input file
| Programs for Specific Tasks
| Programs for Specific Tasks
- setup_mcphasjforfit
- Programs for Specific Tasks
- setvalue
- Programs for Manipulation of
- setvariable
- Programs for Specific Tasks
| Programs of General Interest
- shiftcol
- Programs for Manipulation of
- simannfit
- ...in version 5.2 ...
| example of input file
| Searchspace and Simannfit -
| Searchspace and Simannfit -
| Setting up parameter files
| Setting up parameter files
| Telling the fitting program,
| Starting a fit
| Programs for Specific Tasks
| Programs for Manipulation of
- sincol
- Programs for Manipulation of
- singleion
- ...in version 5.2 ...
| Introduction
| no title
| no title
| Example - how to
| Example - how to
| Example - how to
| Example - how to
| Single Ion Modules
| Single Ion Modules
| All about Programming External
| All about Programming External
| no title
| External module function Icalc
| no title
| no title
| no title
| Programs for Specific Tasks
- so1ion
- Getting Started ... List
| Getting Started ... List
| Getting Started ... List
| Doing Single Ion Calculations
| Doing Single Ion Calculations
| Doing Single Ion Calculations
| Example - how to
| no title
| Using the so1ion module
| Using the so1ion module
| Module Tasks:
| Module Tasks:
| Module Usage:
| Module Usage:
| mcphas - calculation of
| mcphas.ini - controlling the
| Single Ion Property Input
| Resonant Inelastic X-ray Scattering(RIXS)
| Including Quadrupolar and Higher
| Setting up mcphas.j and
| Setting up mcphas.j and
| Setting up mcphas.j and
| Single Ion Modules
| Single Ion Modules
| External module function mqcalc
- spins
- ...in version 5.2 ...
| Output Files - mcphas.qvc,phs,sps,mf,fum,j1...,xyt,hkl
| mcdiff - calculate and
| Going beyond the Dipole
| example of input file
| no title
| no title
| no title
| no title
| Programs display_densities - display
- spinsfromq
- ...in version 5.2 ...
- substitute
- Programs of General Interest
- sum_mcdiff_out
- How to calculate only
- sumcol
- Programs for Manipulation of
- swapcol
- Programs for Manipulation of
- tancol
- Programs for Manipulation of
- tanhcol
- Programs for Manipulation of
- uvw2fwhm
- How to generate and
| Programs for Manipulation of
- zshift
- Programs for Manipulation of
